CAS RN: 61404-50-0
5-ethylpyridazin-3(2H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250531 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61404-50-0
- Purity/Analytical Methods: >99.0%
61404-50-0 / 4-ethyl-1H-pyridazin-6-one
Basic Information
CAS
61404-50-0
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
InChI
InChI=1S/C6H8N2O/c1-2-5-3-6(9)8-7-4-5/h3-4H,2H2,1H3,(H,8,9)
InChIKey
YYAXRXORQWHQRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.24
TPSA
45.75
LogP / Solubility
WLOGP
0.33
MLOGP
0.28
XLogP3
0.1
Consensus LogP
0.24
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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